General Information of the Compound
| Compound ID |
CP0859962
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| Compound Name |
2-(4-methoxy-3-(2-(piperidin-1-yl)ethoxy)phenyl)-4-methyl-2,3-dihydropyrrolo[3,4-b]indol-1(4H)-one
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| Structure |
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| Formula |
C25H30ClN3O3
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| Molecular Weight |
455.986
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| Canonical SMILES |
COc1ccc(N2Cc3c(c4ccccc4n3C)C2=O)cc1OCCN1CCCCC1.Cl
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| InChI |
InChI=1S/C25H29N3O3.ClH/c1-26-20-9-5-4-8-19(20)24-21(26)17-28(25(24)29)18-10-11-22(30-2)23(16-18)31-15-14-27-12-6-3-7-13-27;/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3;1H
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| InChIKey |
KSFGFOKVWCNJRU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C